2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine

C32H16F12N2 — CID 132966319

IUPAC2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)c(-c3cccc(C(F)(F)F)c3)nc2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C32H16F12N2/c33-29(34,35)21-9-1-5-17(13-21)25-26(18-6-2-10-22(14-18)30(36,37)38)46-28(20-8-4-12-24(16-20)32(42,43)44)27(45-25)19-7-3-11-23(15-19)31(39,40)41/h1-16H
InChIKeyIMNQGMOMRMUDNW-UHFFFAOYSA-N
MW656.47 g/mol
LogP11.22
Rot. Bonds4

About 2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine

2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine (PubChem CID 132966319) has the molecular formula C32H16F12N2 and a molecular weight of 656.47 g/mol. Its IUPAC name is 2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine.

Molecular Properties

Compound Name2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine
PubChem CID132966319
Molecular FormulaC32H16F12N2
Molecular Weight656.47 g/mol
Exact Mass656.11
IUPAC Name2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine
SMILESFC(F)(F)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)c(-c3cccc(C(F)(F)F)c3)nc2-c2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C32H16F12N2/c33-29(34,35)21-9-1-5-17(13-21)25-26(18-6-2-10-22(14-18)30(36,37)38)46-28(20-8-4-12-24(16-20)32(42,43)44)27(45-25)19-7-3-11-23(15-19)31(39,40)41/h1-16H
InChIKeyIMNQGMOMRMUDNW-UHFFFAOYSA-N
XLogP11.22
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500656.47
LogP ≤ 511.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine?
The IUPAC name of 2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine (CID 132966319) is 2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine.
What is the SMILES notation for 2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine?
The canonical SMILES for 2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine is FC(F)(F)c1cccc(-c2nc(-c3cccc(C(F)(F)F)c3)c(-c3cccc(C(F)(F)F)c3)nc2-c2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine?
The InChIKey is IMNQGMOMRMUDNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H16F12N2/c33-29(34,35)21-9-1-5-17(13-21)25-26(18-6-2-10-22(14-18)30(36,37)38)46-28(20-8-4-12-24(16-20)32(42,43)44)27(45-25)19-7-3-11-23(15-19)31(39,40)41/h1-16H.
What are the key properties of 2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine?
2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine has a molecular weight of 656.47 g/mol, XLogP of 11.22, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3,5,6-tetrakis[3-(trifluoromethyl)phenyl]pyrazine is sourced from PubChem (CID 132966319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).